SCHEMBL5791294

SCHEMBL5791294

N#CC=C1CCCCC1OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
PTPN1 P18031 2/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SYNJ2 O15056 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
STAT3 P40763 1/20 0.35
TYR P14679 1/20 0.35
GJA1 P17302 1/20 0.35
GJB2 P29033 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30089929 0.74 PTPN1 (0.44) MAPTPTPN1MEN1KMT2ASYNJ2
SCHEMBL30615017 0.74 PTPN1 (0.44) MAPTPTPN1MEN1KMT2ASYNJ2
SCHEMBL20097839 0.70 PTPN1 (0.57) MAPTPTPN1MEN1KMT2ASYNJ2
SCHEMBL11288598 0.70 PTPN1 (0.57) MAPTPTPN1MEN1KMT2ASYNJ2
SCHEMBL7688096 0.70 PTPN1 (0.57) MAPTPTPN1MEN1KMT2ASYNJ2
Trehalose SCHEMBL295383 0.69 MAPT (0.56) MAPTPTPN1MEN1KMT2AL3MBTL1
Trehalose SCHEMBL166078 0.69 MAPT (0.56) MAPTPTPN1MEN1KMT2AL3MBTL1
Trehalose SCHEMBL6827933 0.69 MAPT (0.56) MAPTPTPN1MEN1KMT2AL3MBTL1
Trehalose SCHEMBL15360972 0.69 MAPT (0.56) MAPTPTPN1MEN1KMT2AL3MBTL1
Trehalose SCHEMBL7079380 0.69 MAPT (0.56) MAPTPTPN1MEN1KMT2AL3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006005142-A2 MONO- AND POLYCYCLIC COMPOUNDS WITH THERAPEUTIC ACTIVITY, PHARMACEUTICAL COMPOSITIONS INCLUDING THEM AND INTERMEDIATES FOR MAKING THEM UNIVERSITEIT GENT (BE) 2006-01-19 WO disclosed